The vibration spectrum of Dichloroborane (cas 13701-67-2)

Add time:09/28/2019    Source:sciencedirect.com

An analysis of the normal vibrations of dichloroborane has been made, according to the conventional Wilson's method of symmetry coordinates. The molecule was assumed to be planar and belonging to C2υ symmetry. Data from previous works have been used and the calculated spectrum fitted to the observed one by adjusting the force constants and bond distances; the angles were assumed to be 120°. The available infra-red spectrum covers the range from 3000 to 650 cm−1. A complete assignment has been reached of the observed frequencies. Of these, the one at 2625 cm−1 is a fundamental A1 type; frequencies at 1110 and 885 cm−1 are B1, with the observed isotopic lines at 1115 and 925 cm−1. The out-of-plane frequency belongs to type B2 and is at 900 cm−1. Two fundamental frequencies of type A1 are predicted at 556 and 170 cm−1. The Teller—Redlich Product Rule has been used as a check for isotopic shift and assignment of linesThe results are in agreement with the assumed C2υ symmetry and planarity of the molecule.

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